1,8-naphthyridine
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 331.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 341.29 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 90.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 123.57 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.46 | J mol-1 K-1 |
| Rotational | 120.68 | J mol-1 K-1 |
| Vibrational | 53.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 344.04 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 235.04 | kJ mol-1 |
Molecular Orbitals
- 1 -417.53 eV View
- 2 -417.53 eV View
- 3 -302.31 eV View
- 4 -301.61 eV View
- 5 -301.61 eV View
- 6 -301.11 eV View
- 7 -301.03 eV View
- 8 -301.03 eV View
- 9 -300.78 eV View
- 10 -300.78 eV View
- 11 -33.40 eV View
- 12 -31.58 eV View
- 13 -28.97 eV View
- 14 -27.26 eV View
- 15 -26.56 eV View
- 16 -22.81 eV View
- 17 -22.07 eV View
- 18 -21.38 eV View
- 19 -18.75 eV View
- 20 -17.88 eV View
- 21 -17.72 eV View
- 22 -15.89 eV View
- 23 -15.12 eV View
- 24 -14.91 eV View
- 25 -14.39 eV View
- 26 -14.37 eV View
- 27 -14.16 eV View
- 28 -12.41 eV View
- 29 -11.77 eV View
- 30 -10.14 eV View
- 31 -9.90 eV View
- 32 -8.52 eV View
- 33 -7.86 eV View
- 34 -7.40 eV View
- 35 4.85 eV View
- 36 6.01 eV View
- 37 7.98 eV View
- 38 10.60 eV View
- 39 14.20 eV View
- 40 15.06 eV View
- 41 16.24 eV View
- 42 16.80 eV View
- 43 16.88 eV View
- 44 18.36 eV View
- 45 18.79 eV View
- 46 18.90 eV View
- 47 19.25 eV View
- 48 21.70 eV View
- 49 22.09 eV View
- 50 22.70 eV View
- 51 22.82 eV View
- 52 25.05 eV View
- 53 26.51 eV View
- 54 27.31 eV View
- 55 30.11 eV View
- 56 30.42 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 156.11 cm-1 View
- 2 167.65 cm-1 View
- 3 354.83 cm-1 View
- 4 381.46 cm-1 View
- 5 430.48 cm-1 View
- 6 490.40 cm-1 View
- 7 521.46 cm-1 View
- 8 528.75 cm-1 View
- 9 566.92 cm-1 View
- 10 634.89 cm-1 View
- 11 776.04 cm-1 View
- 12 793.26 cm-1 View
- 13 820.51 cm-1 View
- 14 828.49 cm-1 View
- 15 896.39 cm-1 View
- 16 910.73 cm-1 View
- 17 921.18 cm-1 View
- 18 930.24 cm-1 View
- 19 993.47 cm-1 View
- 20 1010.89 cm-1 View
- 21 1082.70 cm-1 View
- 22 1094.03 cm-1 View
- 23 1127.64 cm-1 View
- 24 1133.87 cm-1 View
- 25 1147.58 cm-1 View
- 26 1156.85 cm-1 View
- 27 1171.92 cm-1 View
- 28 1371.82 cm-1 View
- 29 1389.99 cm-1 View
- 30 1425.02 cm-1 View
- 31 1525.45 cm-1 View
- 32 1607.62 cm-1 View
- 33 1655.19 cm-1 View
- 34 1757.93 cm-1 View
- 35 1781.04 cm-1 View
- 36 1792.11 cm-1 View
- 37 3028.89 cm-1 View
- 38 3029.02 cm-1 View
- 39 3057.49 cm-1 View
- 40 3058.68 cm-1 View
- 41 3078.10 cm-1 View
- 42 3078.15 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.51 | kJ mol-1 |
| Polar Solvation Energy | -28.17 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.65 | kJ mol-1 |
| Surface Area | 111.45 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.23 | Debye |